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5'-[(Desloratadine)methyl] Rupatadine-[d8]

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General Information
Catalog: BLP-002996
CAS: 1794669-33-2
Molecular Formula: C45H35D8Cl2N5
Molecular Weight: 732.81

Chemical Structure

Description	5'-[(Desloratadine)methyl] Rupatadine-[d8] is the labelled analogue of 5'-[(Desloratadine)methyl] Rupatadine, which is an impurity of Rupatadine. Rupatadine is a second generation antihistamine and PAF antagonist used to treat allergies.
Synonyms	5'-[(Desloratadine)methyl] Rupatadine D8; 11,11'-[3,5-Pyridinediylbis(methylene-1,4-piperidinediyl)]bis[8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine-d8; Rupatadine Impurity C-d8
IUPAC Name	13-chloro-2-[1-[[5-[[4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)-2,2,6,6-tetradeuteriopiperidin-1-yl]methyl]pyridin-3-yl]methyl]-2,2,6,6-tetradeuteriopiperidin-4-ylidene]-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
Related CAS	1224515-72-3 (unlabelled)
Canonical SMILES	C1CC2=C(C=CC(=C2)Cl)C(=C3CCN(CC3)CC4=CC(=CN=C4)CN5CCC(=C6C7=C(CCC8=C6N=CC=C8)C=C(C=C7)Cl)CC5)C9=C1C=CC=N9
InChI	InChI=1S/C45H43Cl2N5/c46-38-9-11-40-36(24-38)7-5-34-3-1-17-49-44(34)42(40)32-13-19-51(20-14-32)28-30-23-31(27-48-26-30)29-52-21-15-33(16-22-52)43-41-12-10-39(47)25-37(41)8-6-35-4-2-18-50-45(35)43/h1-4,9-12,17-18,23-27H,5-8,13-16,19-22,28-29H2/i19D2,20D2,21D2,22D2
InChI Key	QMAUPLJMOVSLAU-HRSZNPPGSA-N